Chemical ID: 5294408

COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
Chemical ID:
5294408
Name [?]:
6-[(4-fluorophenyl)methoxy]-2-[(3-methoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C23H17FO4/c1-26-18-4-2-3-16(11-18)12-22-23(25)20-10-9-19(13-21(20)28-22)27-14-15-5-7-17(24)8-6-15/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,23,27,24,26,15,14,8,9,17,21,22,7,25,3,16,13,18,10,11,28,12,2,20,19/E:(5,6)(7,8)/rA:28nCOCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.96302
Area:587.358
Solvation:-5.72094
Coulombic:-37.3276
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:376.377
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.33
LogP (Chemaxon):4.74

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